| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(ccc(C(N)=O)c(c1)OC)c3n2c(ccc(n2)NC(C)C)nc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21) |
| InChIKey | InChI | 1.03 | IBZJJCFFBCEGPS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23 |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1C(N)=O)c2cnc3ccc(NC(C)C)nn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N |
